The Bayesian approach to an internally consistent thermodynamic database: theory, database, and generation of phase diagrams     

Niranjan D. Chatterjee  Ralf Krüger  Gerd Haller  Walter Olbricht 《Contributions to Mineralogy and Petrology》1998,133(1-2):149-168

An internally consistent thermodynamic dataset has been derived for 148 endmember phases (145 solids and 3 fluids) comprising the elements Li, Na, K, Be, Mg, Ca, Ti, Cr, Mn, Fe, Zn, Al, Si, C, H, and O. This has been achieved by simultaneous treatment of phase property (like standard enthalpy of formation, standard entropy, molar heat capacity, molar volume, thermal expansivity, bulk modulus etc.) and reaction reversal data by the Bayesian method. The theory underlying the approach, and the computational methods involved, are briefly outlined. (For the benefit of readers unfamiliar with inference statistics, the basic concepts of the Bayes method are also presented in such a way that they can be grasped intuitively.) Although not yet addressed, this method can be extended to refine the thermodynamic mixing properties of crystalline solutions. The sources of the input data, culled from the literature, are summarized in the Appendix. The resulting database is succinctly documented in this paper. It includes the enthalpies of formation and entropies, their uncertainties, and the correlation among them. The database allows calculation of P-T, T-X _CO2, P-X _CO2, and T-f _O2 sections, with error propagation into the computed phase diagrams on a routine basis. A user-friendly computer program has been written to generate such phase diagrams. It is public domain software. The software and the thermodynamic database (which includes a complete documentation of the thermodynamic data above and beyond those listed (Table 2, here) may be downloaded from the web site http://homepage.ruhr-uni-bochum.de/niranjan.chatterjee/Index.htm. Examples of computed phase diagrams are given to illustrate the quality of the data and the capabilities of the software. Received: 11 March 1998 / Accepted: 11 June 1998  相似文献   

湘西新元古界—寒武系中锑砷存在相态研究   总被引：7，自引：0，他引：7  

解庆林  马东升 《地质论评》1998,44(1):77-82

应用部分提取技术研究湘西地区新元古界－寒中武系锑和砷元素的存在相态表明,岩石中以可交换离子,与碳酸盐有关,与硫化物有关和赋存于硅酸直放物晶格的４种形式存在的锑元素分别占岩石中锑总量的１８．６５％,０．８５％,３１．４１％和４３．８１％,砷则分别为７．０５％,４．２９％和５６．１１％和２９．１８％,呈易迁移相态存在锑和砷分别为５５．９１％和６７．４５％,在含硫开放体系中,岩石中元素的淋滤率与其中易迁  相似文献   

Identity building and social transformation: the cases of Namibia and Botswana compared     

Fred W. Krüger 《GeoJournal》1998,46(2):79-87

Namibia and Botswana differ from other sub-Saharan nations in their record of stable political performance. However, both countries have to face increasing social problems. In the case of Namibia these are still mainly related to the process of post-apartheid national reconciliation and identity building, in the case of Botswana they refer to issues of growing tribal tensions and of a gradual interior restructuring of society. This paper analyzes the various patterns of social transformation in the two countries and examines in what ways state-society relations are different from other African nations. This revised version was published online in July 2006 with corrections to the Cover Date.  相似文献   

Influence of catchment quality and altitude on the water and sediment composition of 68 small lakes in Central Europe     

Beat Müller  André F. Lotter  Michael Sturm  Adrian Ammann 《Aquatic Sciences - Research Across Boundaries》1998,60(4):316-337

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Heat capacity of wadeite-type K2Si4O9 and the pressure-induced stable decomposition of K-feldspar     

Detlef W. Fasshauer  Bernd Wunder  Niranjan D. Chatterjee  Günther W. H. Höhne 《Contributions to Mineralogy and Petrology》1998,131(2-3):210-218

The heat capacity of synthetic, stoichiometric wadeite-type K₂Si₄O₉ has been measured by DSC in the 195≤T(K)≤598 range. Near the upper temperature limit of our data, the heat capacity observed by DSC agrees with that reported by Geisinger et al. (1987) based on a vibrational model of their infrared and Raman spectroscopic data. However, with decreasing temperature, the Cp observed by DSC is progressively higher than that predicted from the vibrational model, suggesting that the standard entropy of K₂Si₄O₉ is likely to be larger than 198.9 ± 4.0 J/K · mol computed from the spectroscopic data. A fit to the DSC data gave: Cp(T) = 499.13 (±1.87) − 4.35014 · 10³(±3.489 · 10¹) · T ^−0.5, with T in K and average absolute percent deviation of 0.37%. The room-temperature compressibilities of kalsilite and leucite, hitherto unknown, have been measured as well. The data, fitted to the Murnaghan equation of state, gave K _o = 58.6 GPa, K _o ^′ = 0.1 for kalsilite and K _o = 45 GPa, K _o ^′ = 5.7 for α-leucite. Apart from the above mentioned data on the properties of the individual phases, we have also obtained reaction-reversals on four equilibria in the system K₂O-Al₂O₃-SiO₂. The Bayesian method has been used simultaneously to process the properties of 13 phases and 15 reactions between them to derive an internally consistent thermodynamic dataset for the K₂O-Al₂O₃-SiO₂ ternary. The enthalpy of formation of K₂Si₄O₉ wadeite is in perfect agreement with its revised calorimetric value, the standard entropy is 232.1 ± 10.4 J/K · mol, ∼15% higher than that implied by vibrational modeling. The phase diagram, generated from our internally consistent thermodynamic dataset, shows that for all probable P-T trajectories in the subduction regime, the stable pressure-induced decomposition of K-feldspar will produce coesite + kalsilite rather than coesite + kyanite + K₂Si₄O₉ (cf. Urakawa et al. 1994). Received: 11 June 1997 / Accepted: 2 December 1997  相似文献   

Application of the DDM and fracture mechanics model on the simulation of rock breakage by mechanical tools   总被引：2，自引：0，他引：2  

X.C. Tan  S.Q. Kou  P.-A. Lindqvist 《Engineering Geology》1998,49(3-4):277-284

A DDM (displacement discontinuity method) program coupled with a modified energy criterion is used to simulate the development of cracks and chips by indentation tools. In our analysis a cavity model is applied to represent the expansion of crushed rock to the surrounding rock and the cracks are formedin two-dimensional and quasi-static conditions. The model parameters, rock properties and load magnitudes are varied in the numerical calculations. The results show that chips are formed by multiple mechanisms of either tension or shear, or their combinations. The cracks may either propagate to the free surface to form chips or rest in the rock subsurface. The crack development is dependent upon rock and fracture properties, loading force and tool characteristics. The DDM is a convenient tool in the study of rock fragmentation and cracks.  相似文献   

Evolution of Magnetic Fields in Galaxies with Spiral Structure     

Rohde  R.  Elstner  D.  Rüdiger  G. 《Studia Geophysica et Geodaetica》1998,42(3):382-390

We present simulations of the 3D nonlinear induction equation in order to investigate the temporal evolution of large-scale magnetic fields in spiral galaxies. Our model includes differential rotation, ambipolar diffusion and, based on small-scale turbulence, eddy diffusivity and the tensorial -effect with magnetic feedback. The nonaxisymmetric spiral pattern and – if considered – the vertical stratification of the galaxy are represented in its density and turbulence profile. Neglecting vertical stratification the lifetime and geometry of an initial magnetic field depend on the correlation time of interstellar turbulence _corr . Short correlation times increase the lifetime of the initial magnetic field, but the field is rapidly wound up. Its pitch-angles develop to zero. The magnetic field has disappeared after at most 1 to 1.5 Gyr. A resonance like phenomenon is found by tuning the pattern velocity of the galactic spiral. The simulations then show an exceptional amplification of the magnetic field in the case that the pattern speed and a magnetic drift velocity have similar values. Considering a vertical stratification we achieve sufficiently long living grand-designed magnetic fields excited by dynamo action. The behaviour and geometry of the resulting field is again significantly influenced by the correlation time _corr . Small values of _corr lead to axisymmetric fields with small pitch-angles and field-concentration between the spiral arms. Increasing the correlation time the solutions show larger pitch-angles; and depending on very large correlation times the galactic dynamo rather generates fields clearly within the spiral arms and having a bisymmetric structure.  相似文献   

General absorbing boundary conditions for dynamic analysis of fluid-saturated porous media     

T. Akiyoshi  X. Sun  K. Fuchida 《Soil Dynamics and Earthquake Engineering》1998,17(6):397-406

General absorbing boundary conditions based on Biot's two-phase mixture theory and paraxial approximation is presented for the dynamic analysis of fluid-saturated porous media with isotropic, transverse isotropic, and anisotropic properties. For the last two cases, the equivalent Lame's constants, under conditions of uniqueness, are introduced to facilitate the analytical solutions. The numerical results show that the proposed absorbing boundary can greatly suppress spuriously reflected waves and efficiently model the far field of the system with sufficient accuracy.  相似文献   

张北6.2级地震前后地磁Z分量的日变化   总被引：9，自引：3，他引：6  

解用明 《华北地震科学》1998,16(3):62-66,74

利用河北省及邻省、市共１７个地磁台相对观测Ｚ分量资料,总结分析了张北６．２级地震前后的日变化。认为,一次较强地震前可能有多次异常出现,日变反向可作为中短期异常,而后出现的日变低点位移,当分界线连续在某区出现,地震可能进入短临阶段。日变反向的极值区附近和低点位移连续汇集地区可能是未来震中。对于震前出现的多次异常进行追踪预报,可能效果较好。  相似文献   

二滩水电站地震遥测台网持续时间震级的研制   总被引：2，自引：0，他引：2  

赵珠  谢蓉华 《地震地磁观测与研究》1998,19(2):21-29

利用二滩水电站地震遥测台网的速度量和位移量观测记录,收集了震级ＭＬ为０．４￣５．４的４６０次地震（Δ〈２１０ｋｍ）的振动持续时间３５００多条,制作了该台网的持续时间震级公式和便查表。在方法上,不同于通常的按一次或两次曲线拟合,而采取计算机自动分段按折线拟合的方法,以阻尼最小二乘法完成其计算;在资料上,先分台制作８个子台的持续时间震级公式,在此基础上选择仪器、台基及公式中参数相近的子台,制作了适用于  相似文献